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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:52 UTC
Update Date2025-03-21 18:34:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102673
Frequency26.5
Structure
Chemical FormulaC13H12N2O5S
Molecular Mass308.0467
SMILESNc1ccc(C(=O)Nc2ccc(OS(=O)(=O)O)cc2)cc1
InChI KeyAQAURXNMJBYYQC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent benzanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • benzamides
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • primary amines
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • benzanilide
  • amino acid or derivatives
  • benzoyl
  • carboxylic acid derivative
  • benzamide
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organic sulfuric acid or derivatives
  • benzoic acid or derivatives
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • amine
  • organooxygen compound